Basic information
- CAS
6946-61-8- Standard SMILES
CCOC(=O)C1OC2(CCCC2)OC1C(=O)OCC- InChIKey
PRVBXSOGYFNTSJ-UHFFFAOYSA-N- Molecular formula
- C13H20O6
- Average molar mass
- 272.29 g/mol
- Monoisotopic mass
- 272.12598836
Names & identifiers
- Preferred name
- Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate
- IUPAC
- diethyl 1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylate
Names & synonyms
MLS0026678706946-61-8diethyl 1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylateNSC57342NCIOpen2_002371diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylateSCHEMBL7323858CHEMBL1723941DTXSID50288699PRVBXSOGYFNTSJ-UHFFFAOYSA-NHMS3089B17NSC-57342
Show more names
SMR001557627DS-010769
Database identifiers
- CAS
6946-61-8- PubChem CID
- 245393
- DTXSID
DTXSID50288699- ChEMBL
CHEMBL1723941
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Related reactions
2 records
Compound notes
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